orbital_charges     :real:2:4,3
  0.173422227849702E+001  0.168106178756273E+001  0.117732559380630E+001
  0.200000000000000E+001  0.703695170066937E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.703695170067022E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
  0.298838620076393E-014 -0.181230030982249E-011 -0.520279230532524E-012
 -0.450161895807833E-015  0.109730280417608E-011  0.806937849873179E-012
 -0.253822430495609E-014  0.714955872282985E-012 -0.286631829382600E-012
mermin_energy       :real:0:
 -0.407793793387745E+001
end_coords          :real:2:3,3
 -0.198277506339689E-013 -0.135306367292242E+001  0.392142228380571E-012
  0.353274447420689E-014 -0.268331157828422E+000  0.147112694814902E+001
  0.162950061597620E-013 -0.268331157828084E+000 -0.147112694814941E+001
